4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one

C10H16IN3O2 — CID 136954501

IUPAC4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCOC(C)(C)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-4-16-10(2,3)5-12-8-7(11)9(15)14-6-13-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyJMACYKVAUGJKTO-UHFFFAOYSA-N
MW337.16 g/mol
LogP1.60
Rot. Bonds5

About 4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one

4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136954501) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is 4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136954501
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC Name4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCOC(C)(C)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-4-16-10(2,3)5-12-8-7(11)9(15)14-6-13-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyJMACYKVAUGJKTO-UHFFFAOYSA-N
XLogP1.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136689231
5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696648
4-[3-(2-aminoethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730540
4-[2-(cyclopropylmethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136764987
5-iodo-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820293
4-[(1-ethoxy-3-methylbutan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136824075
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136825657
4-(2,3-dimethoxypropylamino)-5-iodo-1H-pyrimidin-6-one
CID 136852195
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136857372
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136864253
5-iodo-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883381
4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136896841

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136954501) is 4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one is CCOC(C)(C)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is JMACYKVAUGJKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O2/c1-4-16-10(2,3)5-12-8-7(11)9(15)14-6-13-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 337.16 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136954501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).